Spektraris NMR
Excisusin A
Common Name: Excisusin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-12-14-9-15(25)18-20(3)7-6-17(27-13(2)24)21(4,11-23)16(20)5-8-22(18,10-14)19(12)26/h14-18,23,25H,1,5-11H2,2-4H3/t14-,15+,16+,17+,18+,20-,21+,22-/m1/s1
InChIKey: InChIKey=NSAONOIMMKIRAT-KRGOTXCRSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hong, S.S., Lee, S.A., Han, X.H., Jin, H.Z., Lee, J.H., Lee, D., Lee, J.J., Hong, J.T., Kim, Y., Ro, J.S., Hwang, B.Y. J Nat Prod (2007) 70, 632-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 33.4 |
| 2 (CH2) | 23 |
| 3 (CH) | 73.8 |
| 4 (C) | 43.1 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 35 |
| 8 (C) | 50.8 |
| 9 (CH) | 64.4 |
| 10 (C) | 38.6 |
| 11 (CH) | 65 |
| 12 (CH2) | 41.5 |
| 13 (CH) | 37.8 |
| 14 (CH2) | 37.2 |
| 15 (C) | 208.8 |
| 16 (C) | 151.7 |
| 17 (CH2) | 111.1 |
| 18 (CH3) | 22.9 |
| 19 (CH2) | 64.2 |
| 20 (CH3) | 18.1 |
| 3a (C) | 170.4 |
| 3b (CH3) | 21.1 |
